≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
N-Boc-Biocytin is a biotin PEG derivative containing a carboxylic group and Boc-protected amine. Reaction of carboxylic with primary amino (-NH2) forms stable, irreversible amide bonds. The Boc group can be deprotected under acidic condition to obtain the free amine which can be used for further conjugations.
| Canonical Smiles | CC(C)(C)OC(=O)NC(CCCCNC(=O)CCCCC1C2C(CS1)NC(=O)N2)C(=O)O |
|---|---|
| IUPAC Name | (2S)-6-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid |
| InChIKey | XTQNFOCBPUXJCS-JKQORVJESA-N |
| INCHI | 1S/C21H36N4O6S/c1-21(2,3)31-20(30)24-13(18(27)28)8-6-7-11-22-16(26)10-5-4-9-15-17-14(12-32-15)23-19(29)25-17/h13-15,17H,4-12H2,1-3H3,(H,22,26)(H,24,30)(H,27,28)(H2,23,25,29)/t13-,14-,15-,17-/m0/s1 |
| Isomeric SMILES | CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2)C(=O)O |
| WGK Germany | 3 |
| PubChem CID | 16211301 |
| Molecular Weight | 472.599 |
| Beilstein | 5797526 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Biotin and derivatives |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Biotin and derivatives |
| Alternative Parents | Alpha amino acids and derivatives Thienoimidazolidines Medium-chain fatty acids Branched fatty acids Heterocyclic fatty acids N-acyl amines Imidazolidinones Thiophenes Thiolanes Carbamate esters Ureas Secondary carboxylic acid amides Azacyclic compounds Carboxylic acids Dialkylthioethers Monocarboxylic acids and derivatives Carbonyl compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aliphatic heteropolycyclic compounds |
| Substituents | Biotin_derivative - Alpha-amino acid or derivatives - Medium-chain fatty acid - Thienoimidazolidine - Branched fatty acid - Heterocyclic fatty acid - Fatty amide - Fatty acyl - Fatty acid - Imidazolidinone - N-acyl-amine - Imidazolidine - Carbamic acid ester - Thiophene - Thiolane - Carboxamide group - Urea - Carbonic acid derivative - Secondary carboxylic acid amide - Monocarboxylic acid or derivatives - Dialkylthioether - Azacycle - Carboxylic acid - Carboxylic acid derivative - Thioether - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Aliphatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as biotin and derivatives. These are organic compounds containing a ureido (tetrahydroimidizalone) ring fused with a tetrahydrothiophene ring. |
| External Descriptors | Not available |
| Molecular Weight | 472.600 g/mol |
|---|---|
| XLogP3 | 1.500 |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 14 |
| Exact Mass | 472.236 Da |
| Monoisotopic Mass | 472.236 Da |
| Topological Polar Surface Area | 171.000 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 684.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 4 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
